TDR Targets

Basic information

Technical information

TDR Targets ID: 1238221
Name: methyl 3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl )-2-oxoacetyl]amino]propanoate
MW: 389.404 | Formula: C22H19N3O4
H donors: 3 H acceptors: 3 LogP: 3.25 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C(NC(=O)C(=O)c1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
InChi: 1S/C22H19N3O4/c1-29-22(28)19(10-13-11-23-17-8-4-2-6-14(13)17)25-21(27)20(26)16-12-24-18-9-5-3-7-15(16)18/h2-9,11-12,19,23-24H,10H2,1H3,(H,25,27)
InChiKey: HIFDOUATSGPYEI-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

methyl 3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]propanoate
3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]propanoic acid methyl ester
3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)-2-keto-acetyl]amino]propionic acid methyl ester
methyl 3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)-2-oxo-ethanoyl]amino]propanoate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0169	0.0664	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0077	0.0066
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0539	0.0528
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0169	0.0664	1
Leishmania major	hypothetical protein, conserved	0.0169	0.0664	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0077	0.0063
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0037	0.0011
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0077	0.0066
Echinococcus granulosus	carboxylesterase 5A	0.0078	0.0205	0.1163
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0078	0.0205	0.0179
Echinococcus multilocularis	carboxylesterase 5A	0.0078	0.0205	0.1163
Mycobacterium ulcerans	lipase LipD	0.0043	0.0029	0.0018
Echinococcus granulosus	inositol monophosphatase 1	0.0044	0.0037	0.0068
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0056	0.0096	0.0454
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0071	0.0045
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0169	0.0664	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0029	0.0032
Schistosoma mansoni	lipoxygenase	0.0097	0.0304	0.0279
Loa Loa (eye worm)	CYP4Cod1	0.0057	0.0099	0.0089
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0029	0.0018
Brugia malayi	Inositol-1	0.0044	0.0037	0.0103
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0169	0.0664	0.0654
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0169	0.0664	0.6232
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0664	0.0654
Schistosoma mansoni	d-amino acid oxidase	0.203	1	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0044	0.0037	0.0068
Brugia malayi	cDNA sequence BC016226	0.0169	0.0664	0.6232
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0664	0.0654
Schistosoma mansoni	fad oxidoreductase	0.0169	0.0664	0.064
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0139	0.0515	0.3183
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0029	0.0003
Onchocerca volvulus		0.0052	0.0077	0.0402
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0056	0.0096	0.0454
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0169	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.0702	0.0692
Brugia malayi	Cytochrome P450 family protein	0.0101	0.0324	0.2913
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0139	0.0515	0.3183
Echinococcus granulosus	GPCR family 2	0.0056	0.0096	0.0454
Brugia malayi	latrophilin 2 splice variant baaae	0.0121	0.0421	0.3861
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0169	0.0664	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0052	0.0077	0.0084
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0169	0.0664	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0037	0.0123
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0169	0.0664	0.0654
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0039	0.0011	0.0012
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0177	0.0702	0.6602
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0029	0.0032
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0056	0.0096	0.0085
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0169	0.0664	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0056	0.0096	0.0454
Brugia malayi	Carboxylesterase family protein	0.0078	0.0205	0.1744
Trypanosoma cruzi	cytochrome P450, putative	0.0057	0.0099	0.1111
Echinococcus multilocularis	tumor protein p63	0.0348	0.1562	1
Echinococcus multilocularis	GPCR, family 2	0.0056	0.0096	0.0454
Brugia malayi	Cytochrome P450 family protein	0.0057	0.0099	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.006
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.0077	0.0066
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0169	0.0664	0.4156
Brugia malayi	MH2 domain containing protein	0.0144	0.0539	0.5005
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0077	0.0066
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0077	0.0793
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0169	0.0664	1
Loa Loa (eye worm)	carboxylesterase	0.0078	0.0205	0.0194
Echinococcus granulosus	acetylcholinesterase	0.0078	0.0205	0.1163
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0177	0.0702	0.0692
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0056	0.0096	0.0454
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.203	1	1
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0169	0.0664	0.4156
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0077	0.0793
Brugia malayi	beta-lactamase family protein	0.0043	0.0029	0.0026
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0539	0.0528
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0029	0.0032
Schistosoma mansoni	fad oxidoreductase	0.0169	0.0664	0.064
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0169	0.0664	0.064
Schistosoma mansoni	NAD dehydrogenase	0.0169	0.0664	0.064
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0052	0.0077	0.0066
Entamoeba histolytica	acyl-coA synthetase, putative	0.0052	0.0077	0.0793
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0029	0.0018
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0037	0.0123
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0169	0.0664	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0077	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0029	0.0018
Echinococcus multilocularis	acetylcholinesterase	0.0078	0.0205	0.1163
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0029	0.0018
Loa Loa (eye worm)	cytochrome P450 family protein	0.0057	0.0099	0.0089
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0044	0.0037	0.5
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0169	0.0664	1
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0169	0.0664	0.0652
Loa Loa (eye worm)	acetylcholinesterase 1	0.0078	0.0205	0.0194
Brugia malayi	Latrophilin receptor protein 2	0.0056	0.0096	0.0681
Toxoplasma gondii	hypothetical protein	0.0169	0.0664	1
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0037	0.0011
Loa Loa (eye worm)	inositol-1	0.0044	0.0037	0.0026
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0169	0.0664	1
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0077	0.0494
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0029	0.0278
Loa Loa (eye worm)	cytochrome P450 family protein	0.0057	0.0099	0.0089
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0029	0.0018
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0177	0.0702	0.6602
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0169	0.0664	0.0654
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0169	0.0664	1
Onchocerca volvulus		0.028	0.122	1
Brugia malayi	Pre-SET motif family protein	0.0246	0.105	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0037	0.0066
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0169	0.0664	0.4156
Trypanosoma brucei	cytochrome P450, putative	0.0057	0.0099	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0077	0.0066
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0029	0.0018
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0077	0.0494
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.0077	0.0066
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0246	0.105	0.104
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0029	0.0026
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0169	0.0664	0.4156
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0029	0.0018
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0077	0.0494
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.203	1	1
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0029	0.0015
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0044	0.0037	0.0165
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0044	0.0037	0.0026
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0169	0.0664	0.5332
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.1861	0.9151	1
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0169	0.0664	0.6232
Trichomonas vaginalis	inositol monophosphatase, putative	0.0044	0.0037	0.0066
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0169	0.0664	0.0654
Trypanosoma cruzi	cytochrome P450, putative	0.0057	0.0099	0.1111
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0077	0.0084
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0077	0.0754
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0037	0.0066
Trichomonas vaginalis	set domain proteins, putative	0.028	0.122	1
Schistosoma mansoni	lipoxygenase	0.0139	0.0515	0.049
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0029	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0077	0.0066
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0169	0.0664	1
Schistosoma mansoni	hypothetical protein	0.0121	0.0421	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0205	0.0194
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0169	0.0664	0.0652
Schistosoma mansoni	hypothetical protein	0.0056	0.0096	0.007
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0664	0.0654
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0169	0.0664	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0272	0.118	0.1289
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0044	0.0037	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0077	0.0066
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0029	0.0032
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0029	0.0032
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0169	0.0664	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0037	0.0123
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0029	0.0018
Schistosoma mansoni	hypothetical protein	0.0056	0.0096	0.007
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0029	0.0018
Schistosoma mansoni	hypothetical protein	0.0056	0.0096	0.007
Leishmania major	hypothetical protein, conserved	0.0169	0.0664	1
Brugia malayi	Carboxylesterase family protein	0.0078	0.0205	0.1744
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0077	0.0754
Echinococcus multilocularis	acetylcholinesterase	0.0078	0.0205	0.1163
Brugia malayi	Cytochrome P450 family protein	0.0057	0.0099	0.0716
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0169	0.0664	1
Schistosoma mansoni	hypothetical protein	0.0056	0.0096	0.007
Brugia malayi	beta-lactamase family protein	0.0043	0.0029	0.0026
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0169	0.0664	1
Echinococcus granulosus	tumor protein p63	0.0348	0.1562	1
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0169	0.0664	0.064
Mycobacterium ulcerans	hypothetical protein	0.0052	0.0077	0.0066
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0029	0.0032
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0029	0.0018
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0057	0.0099	0.0089
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0029	0.0015
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0029	0.0032
Onchocerca volvulus	Putative fad oxidoreductase	0.0169	0.0664	0.5332
Onchocerca volvulus		0.0051	0.0071	0.0353
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0169	0.0664	0.5332
Loa Loa (eye worm)	cytochrome P450 family protein	0.0101	0.0324	0.0314
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.004	0.0013	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0096	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0029	0.0018
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0029	0.0032
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0169	0.0664	1
Leishmania major	cytochrome p450-like protein	0.0057	0.0099	0.1111
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0029	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0029	0.0018
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0029	0.0032
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0169	0.0664	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0421	0.0411
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0037	0.0123
Brugia malayi	beta-lactamase	0.0043	0.0029	0.0026
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0169	0.0664	0.0726
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0169	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0029	0.0018
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0077	0.0063
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0029	0.0032
Echinococcus granulosus	acetylcholinesterase	0.0078	0.0205	0.1163
Brugia malayi	RE18450p	0.0169	0.0664	0.6232
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0056	0.0096	0.0681
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0169	0.0664	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0205	0.0194
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0052	0.0077	0.0066

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1310894

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1238221